Marvin 09110817132D 32 35 0 0 1 0 999 V2000 -3.4228 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 -1.6535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0086 -2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 -0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 -0.8144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0086 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 0.3900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5789 -0.4181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2058 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 0.6464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5789 1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 -1.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 1.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7256 -2.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 1.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 1.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9203 1.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 1.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5086 1.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4228 -2.0653 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4228 -2.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 16 12 1 0 0 0 0 11 12 1 0 0 0 0 12 17 1 1 0 0 0 7 13 1 0 0 0 0 14 13 1 0 0 0 0 13 19 1 6 0 0 0 10 8 1 0 0 0 0 9 8 1 0 0 0 0 7 8 2 0 0 0 0 6 7 1 0 0 0 0 4 9 1 0 0 0 0 9 18 1 1 0 0 0 1 9 1 0 0 0 0 15 16 1 0 0 0 0 29 16 1 0 0 0 0 16 20 1 6 0 0 0 10 11 1 0 0 0 0 15 14 1 0 0 0 0 5 6 1 0 0 0 0 31 4 1 0 0 0 0 5 4 1 0 0 0 0 2 1 1 0 0 0 0 3 31 1 0 0 0 0 3 2 1 0 0 0 0 4 21 1 6 0 0 0 3 22 2 0 0 0 0 28 23 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:50593 > 3-dehydro-4-methylzymosterol > A 3-oxo-5α- steroid that is zymosterol which has been substituted by a methyl group at C-4, and in which the 3-hydroxy function has been oxidised to an oxo group. > 3 > 4-methyl-5alpha-cholesta-8(9),24-dien-3-one; 3-Keto-4-methylzymosterol; 3-dehydro-4-methylzymosterol; (5alpha)-4-methylcholesta-8,24-dien-3-one > 4-methyl-5alpha-cholesta-8,24-dien-3-one > C28H44O > 396.64836 > 396.33922 > 0 > [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C > InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22-,23+,24+,27-,28+/m1/s1 > DBPZYKHQDWKORQ-MWEYQPRESA-N > C15816 $$$$